Geometry & MOs

Info

ID:	277663
PubChem CID:	103830207
Reduced:	NOSC7H9 (2)
Stoich.:	ABCD7E9 (2)
Weight, g/mol:	249.17625
ΔH_f, kcal/mol:	-40.25
Dipole, Da:	2.42
IP(EA), eV:	-8.6(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-tert-butylsulfonylethyl)-4-methylpentan-2-amine

Drug info:

PubChemData

Smile

CSC1CCC(C1)NS(=O)(=O)CC2=CC=CC=C2C#N

DOS

IR

Vibrations